ethyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C17H20ClN5O3/c1-2-26-17(25)22-7-5-12(6-8-22)16(24)21-14-9-13(18)3-4-15(14)23-11-19-10-20-23/h3-4,9-12H,2,5-8H2,1H3,(H,21,24)